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Substance Name: 1H-Indole-3-acetic acid, 2-chloro-1-phenyl-
RN: 63793-61-3
InChIKey: VQBVHVQOXIDVBS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-Cl-N-O2

Molecular Weight

  • 285.729
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-2-chloroindole-3-acetic acid
  • 2-Chloro-1-phenyl-1H-indole-3-acetic acid
  • 5-22-03-00084 (Beilstein Handbook Reference)
  • BRN 0413640

Systematic Name

  • 1H-Indole-3-acetic acid, 2-chloro-1-phenyl-

Registry Numbers

CAS Registry Number

  • 63793-61-3

System Generated Number

  • 0063793613

Structure Descriptors

InChI

1S/C16H12ClNO2/c17-16-13(10-15(19)20)12-8-4-5-9-14(12)18(16)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)

InChIKey

VQBVHVQOXIDVBS-UHFFFAOYSA-N

Smiles

c1(n(c2ccccc2c1CC(O)=O)c1ccccc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1344, 1977.
mouse LD50 oral > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 1344, 1977.